N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene

C41H40N2 — CID 161221550

IUPACN,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
SMILESCN(C)c1ccccc1.CN(c1ccccc1)c1ccccc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C13H13N.2C10H8.C8H11N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2-6-10-8-4-3-7-9(10)5-1;1-9(2)8-6-4-3-5-7-8/h2-11H,1H3;2*1-8H;3-7H,1-2H3
InChIKeyUXOPZLKGQGPGNE-UHFFFAOYSA-N
MW560.79 g/mol
LogP10.89
Rot. Bonds3

About N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene

N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene (PubChem CID 161221550) has the molecular formula C41H40N2 and a molecular weight of 560.79 g/mol. Its IUPAC name is N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene.

Molecular Properties

Compound NameN,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
PubChem CID161221550
Molecular FormulaC41H40N2
Molecular Weight560.79 g/mol
Exact Mass560.32
IUPAC NameN,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
SMILESCN(C)c1ccccc1.CN(c1ccccc1)c1ccccc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C13H13N.2C10H8.C8H11N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2-6-10-8-4-3-7-9(10)5-1;1-9(2)8-6-4-3-5-7-8/h2-11H,1H3;2*1-8H;3-7H,1-2H3
InChIKeyUXOPZLKGQGPGNE-UHFFFAOYSA-N
XLogP10.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylaniline
CID 70392672
CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;methanol
CID 143205399
ethene;N-methyl-N-phenylaniline
CID 144541479
4-N-(4-diphenylboranylphenyl)-1-N,1-N,4-N-trimethylbenzene-1,4-diamine
CID 159627771
4-N-(4-diphenylboranylphenyl)-1-N,1-N,4-N-trimethylbenzene-1,4-diamine;ethane
CID 159627770

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene?
The IUPAC name of N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene (CID 161221550) is N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene.
What is the SMILES notation for N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene?
The canonical SMILES for N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene is CN(C)c1ccccc1.CN(c1ccccc1)c1ccccc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene?
The InChIKey is UXOPZLKGQGPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.2C10H8.C8H11N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2-6-10-8-4-3-7-9(10)5-1;1-9(2)8-6-4-3-5-7-8/h2-11H,1H3;2*1-8H;3-7H,1-2H3.
What are the key properties of N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene?
N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene has a molecular weight of 560.79 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene is sourced from PubChem (CID 161221550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).